Structure of PDB 1y9a Chain A Binding Site BS05

Receptor Information
>1y9a Chain A (length=360) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGLAMLGIGRIGWIEKKIPECGPLDALVRPLALAPCTSDTHTVWAGAIG
DRHDMILGHEAVGQIVKVGSLVKRLKVGDKVIVPAITPDWGEEESQRGYP
MHSGGMLGGWKFSNFKDGVFSEVFHVNEADANLALLPRDIKPEDAVMLSD
MVTTGFHGAELANIKLGDTVCVIGIGPVGLMSVAGANHLGAGRIFAVGSR
KHCCDIALEYGATDIINYKNGDIVEQILKATDGKGVDKVVIAGGDVHTFA
QAVKMIKPGSDIGNVNYLGEGDNIDIPRSEWGVGMGHKHIHGGLTPGGRV
RMEKLASLISTGKLDTSKLITHRFEGLEKVEDALMLMKNKPADLIKPVVR
IHYDDEDTLH
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain1y9a Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1y9a Structure of alcohol dehydrogenase from Entamoeba histolytica.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		G98 Y99 M101 H157
Binding residue
(residue number reindexed from 1)		G98 Y99 M101 H157
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C37 T38 S39 H42 H59 E60 D89 E92 S95 S103 D150 T154 K346
Catalytic site (residue number reindexed from 1) C37 T38 S39 H42 H59 E60 D89 E92 S95 S103 D150 T154 K346
Enzyme Commision number 1.1.1.80: isopropanol dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050009 isopropanol dehydrogenase (NADP+) activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1y9a, PDBe:1y9a, PDBj:1y9a
PDBsum1y9a
PubMed16627948
UniProtP35630|ADH1_ENTH1 NADP-dependent isopropanol dehydrogenase (Gene Name=ADH1)

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